Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 47(16), p. 26240-26251, 2014
DOI: 10.1039/c4cp03287j
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A DFT study of a new class of gold nanocluster-photochrome multi-functional switches
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Abstract
The structural and electronic properties of dithienylethene photochromic molecules grafted onto a Au25 nanocluster are reviewed and electron/energy transfers are discussed with the help of (TD-)DFT calculations.